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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-112604
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'O']
  • Chemical System: Al-Ca-O
  • Density: 2.63649129610928
  • Atomic Density: 0.0713968071692974
  • Unit Cell Volume: 364.16194268111076
  • Molar Volume: 8.434747993310388
  • Full Formula: Ca4 Al6 O16
  • Reduced Formula: Ca2Al3O8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m